2-(4-iodophenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide

C18H20INO5 — CID 55624151

IUPAC2-(4-iodophenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide
SMILESCOCCOc1cc(NC(=O)COc2ccc(I)cc2)ccc1OC
InChIInChI=1S/C18H20INO5/c1-22-9-10-24-17-11-14(5-8-16(17)23-2)20-18(21)12-25-15-6-3-13(19)4-7-15/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyJBTYUVMQMKTMMA-UHFFFAOYSA-N
MW457.26 g/mol
LogP3.34
Rot. Bonds9

About 2-(4-iodophenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide

2-(4-iodophenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide (PubChem CID 55624151) has the molecular formula C18H20INO5 and a molecular weight of 457.26 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-iodophenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide
PubChem CID55624151
Molecular FormulaC18H20INO5
Molecular Weight457.26 g/mol
Exact Mass457.04
IUPAC Name2-(4-iodophenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide
SMILESCOCCOc1cc(NC(=O)COc2ccc(I)cc2)ccc1OC
InChIInChI=1S/C18H20INO5/c1-22-9-10-24-17-11-14(5-8-16(17)23-2)20-18(21)12-25-15-6-3-13(19)4-7-15/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyJBTYUVMQMKTMMA-UHFFFAOYSA-N
XLogP3.34
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.26
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 2303718
N-(3,4-diethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 7751784
2-(2-methoxyethoxy)-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]acetamide
CID 30902018
methyl 2-[4-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]phenyl]acetate
CID 7695230
4-methoxy-N-[2-methoxy-5-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]benzamide
CID 46323188
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 19174454
butyl 4-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]benzoate
CID 7984511
N-[4-(dimethylamino)-3-methylphenyl]-2-(4-iodophenoxy)acetamide
CID 55652450
2-[4-[[2-(4-iodophenoxy)acetyl]amino]phenoxy]acetic acid
CID 1288987
4-[[2-(4-iodophenoxy)acetyl]amino]-N-methylbenzamide
CID 9076385
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 126393662
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678401

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-iodophenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide (CID 55624151) is 2-(4-iodophenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-iodophenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-iodophenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide is COCCOc1cc(NC(=O)COc2ccc(I)cc2)ccc1OC.
What is the InChIKey of 2-(4-iodophenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide?
The InChIKey is JBTYUVMQMKTMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20INO5/c1-22-9-10-24-17-11-14(5-8-16(17)23-2)20-18(21)12-25-15-6-3-13(19)4-7-15/h3-8,11H,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-iodophenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide?
2-(4-iodophenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide has a molecular weight of 457.26 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide is sourced from PubChem (CID 55624151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).